MVAPACK: A Complete Data Handling Package for NMR Metabolomics | Zendy

Bradley Worley | Zendy; Robert Powers | Zendy

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MVAPACK: A Complete Data Handling Package for NMR Metabolomics

Author(s) -

Bradley Worley,

Robert Powers

Publication year - 2014

Publication title -

acs chemical biology

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.899

H-Index - 111

eISSN - 1554-8937

pISSN - 1554-8929

DOI - 10.1021/cb4008937

Subject(s) - metabolomics , computer science , standardization , software , field (mathematics) , group method of data handling , data mining , data science , bioinformatics , biology , programming language , operating system , machine learning , mathematics , pure mathematics

Data handling in the field of NMR metabolomics has historically been reliant on either in-house mathematical routines or long chains of expensive commercial software. Thus, while the relatively simple biochemical protocols of metabolomics maintain a low barrier to entry, new practitioners of metabolomics experiments are forced to either purchase expensive software packages or craft their own data handling solutions from scratch. This inevitably complicates the standardization and communication of data handling protocols in the field. We report a newly developed open-source platform for complete NMR metabolomics data handling, MVAPACK, and describe its application on an example metabolic fingerprinting data set.

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